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Bicyclo[2.2.2]octane-2-carbonitrile, 2-chloro-1-hydroxy-5-oxo-, (1.alpha.,2.beta.,4.beta.)-
SpectraBase Compound ID 6DRQV2Szg3c
InChI InChI=1S/C9H10ClNO2/c10-8(5-11)3-6-1-2-9(8,13)4-7(6)12/h6,13H,1-4H2/t6-,8+,9-/m1/s1
InChIKey DAHPTPNSYPGSPU-BWVDBABLSA-N
Mol Weight 199.64 g/mol
Molecular Formula C9H10ClNO2
Exact Mass 199.040006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5JIllOKV3uK
Name Bicyclo[2.2.2]octane-2-carbonitrile, 2-chloro-1-hydroxy-5-oxo-, (1.alpha.,2.beta.,4.beta.)-
CAS Registry Number 129705-10-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10ClNO2
InChI InChI=1S/C9H10ClNO2/c10-8(5-11)3-6-1-2-9(8,13)4-7(6)12/h6,13H,1-4H2/t6-,8+,9-/m1/s1
InChIKey DAHPTPNSYPGSPU-BWVDBABLSA-N
Molecular Weight 199.637 g/mol
SMILES O[C@]12[C@@](C#N)(C[C@](C(=O)C2)(CC1)[H])Cl
SPLASH splash10-03di-0900000000-cd23705d9caa4ae6586f
Source of Spectrum KC-1990-1405-8
Synonyms (1R(*),2R(*))-2-Chloro-1-hydroxy-5-oxobicyclo-[2.2.2]octane-2-carbonitrile (1R,2S,4R)-2-chloro-1-hydroxy-5-oxobicyclo[2.2.2]octane-2-carbonitrile
Wiley ID 1196524